hcp-bcc structural phase transformation of titanium: Analytic model calculations

被引：73

作者：

Masuda-Jindo, K ^{[1
]}

Nishitani, SR

Van Hung, V

机构：

[1] Tokyo Inst Technol, Dept Mat Sci & Engn, Midori Ku, Yokohama, Kanagawa 2268503, Japan

[2] Kyoto Univ, Dept Mat Sci & Engn, Sakyo Ku, Kyoto 6068501, Japan

[3] Hanoi Natl Pedagog Univ, Hanoi, Vietnam

来源：

PHYSICAL REVIEW B | 2004年 / 70卷 / 18期

关键词：

D O I：

10.1103/PhysRevB.70.184122

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show that the hcp (alpha)-->bcc (beta) structural phase transformation of titanium occurs via anharmonicity effect of thermal lattice vibrations. The full-potential linear muffin-tin orbital method in the local density approximation with the generalized gradient correction is used to derive the embedded atom potential for Ti, which allows us the analytic and realistic calculations of the thermodynamic quantities. We also discuss the similar phase transformation but slightly different mechanism occurring in zirconium in terms of the anharmonicity of thermal lattice vibrations.

引用

页码：1 / 10

页数：10

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